data_11217 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SH3 domain of Stac protein ; _BMRB_accession_number 11217 _BMRB_flat_file_name bmr11217.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin X. . . 2 Suetake T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 389 "13C chemical shifts" 289 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the first SH3 domain of Stac protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin X. . . 2 Suetake T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH3 domain of Stac protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain of Stac protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GSSGSSGNTYVALYKFVPQE NEDLEMRPGDIITLLEDSNE DWWKGKIQDRIGFFPANFVQ RLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 THR 10 TYR 11 VAL 12 ALA 13 LEU 14 TYR 15 LYS 16 PHE 17 VAL 18 PRO 19 GLN 20 GLU 21 ASN 22 GLU 23 ASP 24 LEU 25 GLU 26 MET 27 ARG 28 PRO 29 GLY 30 ASP 31 ILE 32 ILE 33 THR 34 LEU 35 LEU 36 GLU 37 ASP 38 SER 39 ASN 40 GLU 41 ASP 42 TRP 43 TRP 44 LYS 45 GLY 46 LYS 47 ILE 48 GLN 49 ASP 50 ARG 51 ILE 52 GLY 53 PHE 54 PHE 55 PRO 56 ALA 57 ASN 58 PHE 59 VAL 60 GLN 61 ARG 62 LEU 63 SER 64 GLY 65 PRO 66 SER 67 SER 68 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DL4 "Solution Structure Of The First Sh3 Domain Of Stac Protein" 100.00 68 100.00 100.00 3.22e-41 DBJ BAA13152 "stac [Homo sapiens]" 80.88 402 100.00 100.00 2.75e-31 DBJ BAG36275 "unnamed protein product [Homo sapiens]" 80.88 402 100.00 100.00 2.75e-31 DBJ BAG61208 "unnamed protein product [Homo sapiens]" 80.88 341 100.00 100.00 2.03e-31 DBJ BAG63925 "unnamed protein product [Homo sapiens]" 80.88 334 100.00 100.00 1.99e-31 DBJ BAI47349 "SH3 and cysteine rich domain-containing protein [synthetic construct]" 80.88 402 100.00 100.00 2.39e-31 GB AAH20221 "SH3 and cysteine rich domain [Homo sapiens]" 80.88 402 100.00 100.00 2.39e-31 GB ABM83106 "SH3 and cysteine rich domain [synthetic construct]" 80.88 402 100.00 100.00 2.39e-31 GB ABM86300 "SH3 and cysteine rich domain [synthetic construct]" 80.88 402 100.00 100.00 2.39e-31 GB ABM86301 "SH3 and cysteine rich domain, partial [synthetic construct]" 80.88 402 100.00 100.00 2.39e-31 GB AIC55179 "STAC, partial [synthetic construct]" 80.88 402 100.00 100.00 2.39e-31 REF NP_001278978 "SH3 and cysteine-rich domain-containing protein isoform 2 [Homo sapiens]" 80.88 341 100.00 100.00 2.03e-31 REF NP_003140 "SH3 and cysteine-rich domain-containing protein isoform 1 [Homo sapiens]" 80.88 402 100.00 100.00 2.75e-31 REF XP_001101503 "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform 1 [Macaca mulatta]" 80.88 402 100.00 100.00 2.25e-31 REF XP_002803096 "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform 2 [Macaca mulatta]" 80.88 341 100.00 100.00 1.66e-31 REF XP_003826166 "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform X3 [Pan paniscus]" 80.88 402 100.00 100.00 2.75e-31 SP Q99469 "RecName: Full=SH3 and cysteine-rich domain-containing protein; AltName: Full=Src homology 3 and cysteine-rich domain-containing" 80.88 402 100.00 100.00 2.75e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050613-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.09mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.09 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain of Stac protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.236 0.030 1 2 6 6 SER HB2 H 3.845 0.030 1 3 6 6 SER HB3 H 3.845 0.030 1 4 6 6 SER C C 175.000 0.300 1 5 6 6 SER CA C 58.978 0.300 1 6 6 6 SER CB C 63.564 0.300 1 7 7 7 GLY H H 8.581 0.030 1 8 7 7 GLY HA2 H 4.152 0.030 2 9 7 7 GLY HA3 H 3.880 0.030 2 10 7 7 GLY C C 174.032 0.300 1 11 7 7 GLY CA C 45.315 0.300 1 12 7 7 GLY N N 111.229 0.300 1 13 8 8 ASN H H 8.299 0.030 1 14 8 8 ASN HA H 4.935 0.030 1 15 8 8 ASN HB2 H 3.035 0.030 2 16 8 8 ASN HB3 H 2.810 0.030 2 17 8 8 ASN HD21 H 7.018 0.030 2 18 8 8 ASN HD22 H 7.421 0.030 2 19 8 8 ASN C C 174.328 0.300 1 20 8 8 ASN CA C 52.943 0.300 1 21 8 8 ASN CB C 39.400 0.300 1 22 8 8 ASN N N 118.847 0.300 1 23 8 8 ASN ND2 N 111.471 0.300 1 24 9 9 THR H H 8.072 0.030 1 25 9 9 THR HA H 5.363 0.030 1 26 9 9 THR HB H 4.005 0.030 1 27 9 9 THR HG2 H 1.226 0.030 1 28 9 9 THR C C 173.777 0.300 1 29 9 9 THR CA C 61.290 0.300 1 30 9 9 THR CB C 70.722 0.300 1 31 9 9 THR CG2 C 22.948 0.300 1 32 9 9 THR N N 113.166 0.300 1 33 10 10 TYR H H 9.390 0.030 1 34 10 10 TYR HA H 4.988 0.030 1 35 10 10 TYR HB2 H 2.782 0.030 2 36 10 10 TYR HB3 H 2.654 0.030 2 37 10 10 TYR HD1 H 6.955 0.030 1 38 10 10 TYR HD2 H 6.955 0.030 1 39 10 10 TYR HE1 H 6.860 0.030 1 40 10 10 TYR HE2 H 6.860 0.030 1 41 10 10 TYR C C 173.039 0.300 1 42 10 10 TYR CA C 56.865 0.300 1 43 10 10 TYR CB C 43.222 0.300 1 44 10 10 TYR CD1 C 132.403 0.300 1 45 10 10 TYR CD2 C 132.403 0.300 1 46 10 10 TYR CE1 C 118.402 0.300 1 47 10 10 TYR CE2 C 118.402 0.300 1 48 10 10 TYR N N 124.495 0.300 1 49 11 11 VAL H H 9.430 0.030 1 50 11 11 VAL HA H 5.440 0.030 1 51 11 11 VAL HB H 1.864 0.030 1 52 11 11 VAL HG1 H 0.916 0.030 1 53 11 11 VAL HG2 H 0.881 0.030 1 54 11 11 VAL C C 174.822 0.300 1 55 11 11 VAL CA C 58.149 0.300 1 56 11 11 VAL CB C 35.118 0.300 1 57 11 11 VAL CG1 C 21.682 0.300 2 58 11 11 VAL CG2 C 19.511 0.300 2 59 11 11 VAL N N 119.186 0.300 1 60 12 12 ALA H H 8.797 0.030 1 61 12 12 ALA HA H 4.446 0.030 1 62 12 12 ALA HB H 1.547 0.030 1 63 12 12 ALA C C 178.827 0.300 1 64 12 12 ALA CA C 52.514 0.300 1 65 12 12 ALA CB C 19.377 0.300 1 66 12 12 ALA N N 127.906 0.300 1 67 13 13 LEU H H 9.190 0.030 1 68 13 13 LEU HA H 4.070 0.030 1 69 13 13 LEU HB2 H 0.871 0.030 2 70 13 13 LEU HB3 H 0.464 0.030 2 71 13 13 LEU HD1 H 0.651 0.030 1 72 13 13 LEU HD2 H 0.612 0.030 1 73 13 13 LEU HG H 1.317 0.030 1 74 13 13 LEU C C 175.876 0.300 1 75 13 13 LEU CA C 55.279 0.300 1 76 13 13 LEU CB C 43.061 0.300 1 77 13 13 LEU CD1 C 25.198 0.300 2 78 13 13 LEU CD2 C 21.892 0.300 2 79 13 13 LEU CG C 26.741 0.300 1 80 13 13 LEU N N 123.636 0.300 1 81 14 14 TYR H H 6.665 0.030 1 82 14 14 TYR HA H 4.806 0.030 1 83 14 14 TYR HB2 H 2.912 0.030 2 84 14 14 TYR HB3 H 1.855 0.030 2 85 14 14 TYR HD1 H 6.531 0.030 1 86 14 14 TYR HD2 H 6.531 0.030 1 87 14 14 TYR HE1 H 6.637 0.030 1 88 14 14 TYR HE2 H 6.637 0.030 1 89 14 14 TYR C C 172.984 0.300 1 90 14 14 TYR CA C 54.153 0.300 1 91 14 14 TYR CB C 42.219 0.300 1 92 14 14 TYR CD1 C 133.241 0.300 1 93 14 14 TYR CD2 C 133.241 0.300 1 94 14 14 TYR CE1 C 117.420 0.300 1 95 14 14 TYR CE2 C 117.420 0.300 1 96 14 14 TYR N N 112.813 0.300 1 97 15 15 LYS H H 8.306 0.030 1 98 15 15 LYS HA H 4.446 0.030 1 99 15 15 LYS HB2 H 1.886 0.030 1 100 15 15 LYS HB3 H 1.886 0.030 1 101 15 15 LYS HD2 H 1.768 0.030 1 102 15 15 LYS HD3 H 1.768 0.030 1 103 15 15 LYS HE2 H 2.994 0.030 2 104 15 15 LYS HE3 H 2.955 0.030 2 105 15 15 LYS HG2 H 1.440 0.030 2 106 15 15 LYS HG3 H 1.580 0.030 2 107 15 15 LYS C C 175.178 0.300 1 108 15 15 LYS CA C 55.906 0.300 1 109 15 15 LYS CB C 33.758 0.300 1 110 15 15 LYS CD C 29.722 0.300 1 111 15 15 LYS CE C 42.053 0.300 1 112 15 15 LYS CG C 25.106 0.300 1 113 15 15 LYS N N 117.934 0.300 1 114 16 16 PHE H H 8.804 0.030 1 115 16 16 PHE HA H 5.263 0.030 1 116 16 16 PHE HB2 H 3.290 0.030 2 117 16 16 PHE HB3 H 3.132 0.030 2 118 16 16 PHE HD1 H 7.723 0.030 1 119 16 16 PHE HD2 H 7.723 0.030 1 120 16 16 PHE HE1 H 7.580 0.030 1 121 16 16 PHE HE2 H 7.580 0.030 1 122 16 16 PHE HZ H 7.583 0.030 1 123 16 16 PHE C C 173.256 0.300 1 124 16 16 PHE CA C 57.144 0.300 1 125 16 16 PHE CB C 43.248 0.300 1 126 16 16 PHE CD1 C 132.261 0.300 1 127 16 16 PHE CD2 C 132.261 0.300 1 128 16 16 PHE CE1 C 131.352 0.300 1 129 16 16 PHE CE2 C 131.352 0.300 1 130 16 16 PHE CZ C 129.976 0.300 1 131 16 16 PHE N N 125.815 0.300 1 132 17 17 VAL H H 8.084 0.030 1 133 17 17 VAL HA H 4.316 0.030 1 134 17 17 VAL HB H 1.864 0.030 1 135 17 17 VAL HG1 H 0.955 0.030 1 136 17 17 VAL HG2 H 0.891 0.030 1 137 17 17 VAL C C 173.133 0.300 1 138 17 17 VAL CA C 58.653 0.300 1 139 17 17 VAL CB C 32.795 0.300 1 140 17 17 VAL CG1 C 21.017 0.300 2 141 17 17 VAL CG2 C 20.451 0.300 2 142 17 17 VAL N N 129.271 0.300 1 143 18 18 PRO HA H 3.934 0.030 1 144 18 18 PRO HB2 H 2.181 0.030 2 145 18 18 PRO HB3 H 1.992 0.030 2 146 18 18 PRO HD2 H 3.647 0.030 2 147 18 18 PRO HD3 H 3.689 0.030 2 148 18 18 PRO HG2 H 1.731 0.030 2 149 18 18 PRO HG3 H 2.120 0.030 2 150 18 18 PRO C C 176.070 0.300 1 151 18 18 PRO CA C 63.381 0.300 1 152 18 18 PRO CB C 33.748 0.300 1 153 18 18 PRO CD C 50.864 0.300 1 154 18 18 PRO CG C 27.492 0.300 1 155 19 19 GLN H H 9.467 0.030 1 156 19 19 GLN HA H 4.394 0.030 1 157 19 19 GLN HB2 H 2.210 0.030 2 158 19 19 GLN HB3 H 2.070 0.030 2 159 19 19 GLN HE21 H 7.550 0.030 2 160 19 19 GLN HE22 H 6.859 0.030 2 161 19 19 GLN HG2 H 2.446 0.030 2 162 19 19 GLN HG3 H 2.382 0.030 2 163 19 19 GLN C C 175.877 0.300 1 164 19 19 GLN CA C 56.096 0.300 1 165 19 19 GLN CB C 31.200 0.300 1 166 19 19 GLN CG C 34.073 0.300 1 167 19 19 GLN N N 121.862 0.300 1 168 19 19 GLN NE2 N 113.123 0.300 1 169 20 20 GLU H H 8.234 0.030 1 170 20 20 GLU HA H 4.595 0.030 1 171 20 20 GLU HB2 H 2.229 0.030 2 172 20 20 GLU HB3 H 1.782 0.030 2 173 20 20 GLU HG2 H 2.185 0.030 2 174 20 20 GLU HG3 H 2.267 0.030 2 175 20 20 GLU C C 177.790 0.300 1 176 20 20 GLU CA C 54.182 0.300 1 177 20 20 GLU CB C 31.885 0.300 1 178 20 20 GLU CG C 35.701 0.300 1 179 20 20 GLU N N 119.496 0.300 1 180 21 21 ASN H H 8.918 0.030 1 181 21 21 ASN HA H 4.439 0.030 1 182 21 21 ASN HB2 H 2.862 0.030 1 183 21 21 ASN HB3 H 2.862 0.030 1 184 21 21 ASN HD21 H 7.733 0.030 2 185 21 21 ASN HD22 H 6.981 0.030 2 186 21 21 ASN C C 176.503 0.300 1 187 21 21 ASN CA C 56.260 0.300 1 188 21 21 ASN CB C 38.542 0.300 1 189 21 21 ASN N N 119.372 0.300 1 190 21 21 ASN ND2 N 113.017 0.300 1 191 22 22 GLU H H 8.351 0.030 1 192 22 22 GLU HA H 4.569 0.030 1 193 22 22 GLU HB2 H 2.575 0.030 2 194 22 22 GLU HB3 H 2.236 0.030 2 195 22 22 GLU HG2 H 2.346 0.030 2 196 22 22 GLU HG3 H 2.384 0.030 2 197 22 22 GLU C C 175.668 0.300 1 198 22 22 GLU CA C 56.848 0.300 1 199 22 22 GLU CB C 29.360 0.300 1 200 22 22 GLU CG C 37.196 0.300 1 201 22 22 GLU N N 115.897 0.300 1 202 23 23 ASP H H 7.561 0.030 1 203 23 23 ASP HA H 5.318 0.030 1 204 23 23 ASP HB2 H 2.976 0.030 2 205 23 23 ASP HB3 H 2.917 0.030 2 206 23 23 ASP C C 175.875 0.300 1 207 23 23 ASP CA C 54.939 0.300 1 208 23 23 ASP CB C 42.286 0.300 1 209 23 23 ASP N N 121.363 0.300 1 210 24 24 LEU H H 9.813 0.030 1 211 24 24 LEU HA H 4.403 0.030 1 212 24 24 LEU HB2 H 1.996 0.030 2 213 24 24 LEU HB3 H 0.895 0.030 2 214 24 24 LEU HD1 H 0.617 0.030 1 215 24 24 LEU HD2 H 0.737 0.030 1 216 24 24 LEU HG H 1.362 0.030 1 217 24 24 LEU C C 173.233 0.300 1 218 24 24 LEU CA C 53.453 0.300 1 219 24 24 LEU CB C 44.607 0.300 1 220 24 24 LEU CD1 C 25.634 0.300 2 221 24 24 LEU CD2 C 23.485 0.300 2 222 24 24 LEU CG C 26.423 0.300 1 223 24 24 LEU N N 126.556 0.300 1 224 25 25 GLU H H 8.177 0.030 1 225 25 25 GLU HA H 4.427 0.030 1 226 25 25 GLU HB2 H 1.951 0.030 2 227 25 25 GLU HB3 H 1.883 0.030 2 228 25 25 GLU HG2 H 2.548 0.030 2 229 25 25 GLU HG3 H 2.172 0.030 2 230 25 25 GLU C C 176.727 0.300 1 231 25 25 GLU CA C 56.757 0.300 1 232 25 25 GLU CB C 29.679 0.300 1 233 25 25 GLU CG C 36.044 0.300 1 234 25 25 GLU N N 124.056 0.300 1 235 26 26 MET H H 8.759 0.030 1 236 26 26 MET HA H 5.077 0.030 1 237 26 26 MET HB2 H 2.165 0.030 2 238 26 26 MET HB3 H 1.939 0.030 2 239 26 26 MET HE H 1.902 0.030 1 240 26 26 MET HG2 H 2.814 0.030 2 241 26 26 MET HG3 H 2.361 0.030 2 242 26 26 MET C C 174.724 0.300 1 243 26 26 MET CA C 54.820 0.300 1 244 26 26 MET CB C 37.593 0.300 1 245 26 26 MET CE C 16.910 0.300 1 246 26 26 MET CG C 30.251 0.300 1 247 26 26 MET N N 122.152 0.300 1 248 27 27 ARG H H 9.293 0.030 1 249 27 27 ARG HA H 4.703 0.030 1 250 27 27 ARG HB2 H 1.791 0.030 2 251 27 27 ARG HB3 H 1.692 0.030 2 252 27 27 ARG HD2 H 3.231 0.030 1 253 27 27 ARG HD3 H 3.231 0.030 1 254 27 27 ARG HG2 H 1.636 0.030 2 255 27 27 ARG HG3 H 1.706 0.030 2 256 27 27 ARG C C 172.361 0.300 1 257 27 27 ARG CA C 52.926 0.300 1 258 27 27 ARG CB C 30.543 0.300 1 259 27 27 ARG CD C 43.231 0.300 1 260 27 27 ARG CG C 27.029 0.300 1 261 27 27 ARG N N 124.434 0.300 1 262 28 28 PRO HA H 3.703 0.030 1 263 28 28 PRO HB2 H 1.949 0.030 2 264 28 28 PRO HB3 H 1.807 0.030 2 265 28 28 PRO HD2 H 3.374 0.030 2 266 28 28 PRO HD3 H 3.620 0.030 2 267 28 28 PRO HG2 H 2.207 0.030 2 268 28 28 PRO HG3 H 1.636 0.030 2 269 28 28 PRO C C 177.522 0.300 1 270 28 28 PRO CA C 63.429 0.300 1 271 28 28 PRO CB C 30.923 0.300 1 272 28 28 PRO CD C 50.087 0.300 1 273 28 28 PRO CG C 28.244 0.300 1 274 29 29 GLY H H 8.887 0.030 1 275 29 29 GLY HA2 H 4.418 0.030 2 276 29 29 GLY HA3 H 3.385 0.030 2 277 29 29 GLY C C 174.614 0.300 1 278 29 29 GLY CA C 44.722 0.300 1 279 29 29 GLY N N 112.826 0.300 1 280 30 30 ASP H H 8.116 0.030 1 281 30 30 ASP HA H 4.530 0.030 1 282 30 30 ASP HB2 H 2.717 0.030 2 283 30 30 ASP HB3 H 2.431 0.030 2 284 30 30 ASP C C 174.742 0.300 1 285 30 30 ASP CA C 55.910 0.300 1 286 30 30 ASP CB C 42.073 0.300 1 287 30 30 ASP N N 122.279 0.300 1 288 31 31 ILE H H 8.226 0.030 1 289 31 31 ILE HA H 4.779 0.030 1 290 31 31 ILE HB H 1.922 0.030 1 291 31 31 ILE HD1 H 0.818 0.030 1 292 31 31 ILE HG12 H 1.358 0.030 2 293 31 31 ILE HG13 H 1.635 0.030 2 294 31 31 ILE HG2 H 0.887 0.030 1 295 31 31 ILE C C 175.686 0.300 1 296 31 31 ILE CA C 59.684 0.300 1 297 31 31 ILE CB C 37.203 0.300 1 298 31 31 ILE CD1 C 11.314 0.300 1 299 31 31 ILE CG1 C 26.981 0.300 1 300 31 31 ILE CG2 C 17.444 0.300 1 301 31 31 ILE N N 120.504 0.300 1 302 32 32 ILE H H 9.401 0.030 1 303 32 32 ILE HA H 4.551 0.030 1 304 32 32 ILE HB H 1.425 0.030 1 305 32 32 ILE HD1 H 0.437 0.030 1 306 32 32 ILE HG12 H 1.127 0.030 2 307 32 32 ILE HG13 H 0.552 0.030 2 308 32 32 ILE HG2 H 0.545 0.030 1 309 32 32 ILE C C 176.724 0.300 1 310 32 32 ILE CA C 59.813 0.300 1 311 32 32 ILE CB C 42.603 0.300 1 312 32 32 ILE CD1 C 16.994 0.300 1 313 32 32 ILE CG1 C 29.351 0.300 1 314 32 32 ILE CG2 C 19.060 0.300 1 315 32 32 ILE N N 130.022 0.300 1 316 33 33 THR H H 9.011 0.030 1 317 33 33 THR HA H 4.788 0.030 1 318 33 33 THR HB H 4.017 0.030 1 319 33 33 THR HG2 H 1.179 0.030 1 320 33 33 THR C C 174.290 0.300 1 321 33 33 THR CA C 62.162 0.300 1 322 33 33 THR CB C 69.788 0.300 1 323 33 33 THR CG2 C 20.879 0.300 1 324 33 33 THR N N 122.930 0.300 1 325 34 34 LEU H H 9.007 0.030 1 326 34 34 LEU HA H 4.252 0.030 1 327 34 34 LEU HB2 H 1.931 0.030 2 328 34 34 LEU HB3 H 1.402 0.030 2 329 34 34 LEU HD1 H 0.343 0.030 1 330 34 34 LEU HD2 H 0.637 0.030 1 331 34 34 LEU HG H 1.256 0.030 1 332 34 34 LEU C C 175.877 0.300 1 333 34 34 LEU CA C 56.120 0.300 1 334 34 34 LEU CB C 43.475 0.300 1 335 34 34 LEU CD1 C 25.226 0.300 2 336 34 34 LEU CD2 C 24.351 0.300 2 337 34 34 LEU CG C 26.976 0.300 1 338 34 34 LEU N N 129.960 0.300 1 339 35 35 LEU H H 9.106 0.030 1 340 35 35 LEU HA H 4.594 0.030 1 341 35 35 LEU HB2 H 1.574 0.030 2 342 35 35 LEU HB3 H 1.239 0.030 2 343 35 35 LEU HD1 H 0.807 0.030 1 344 35 35 LEU HD2 H 0.839 0.030 1 345 35 35 LEU HG H 1.619 0.030 1 346 35 35 LEU C C 176.894 0.300 1 347 35 35 LEU CA C 55.653 0.300 1 348 35 35 LEU CB C 43.742 0.300 1 349 35 35 LEU CD1 C 26.367 0.300 2 350 35 35 LEU CD2 C 22.479 0.300 2 351 35 35 LEU CG C 27.182 0.300 1 352 35 35 LEU N N 125.662 0.300 1 353 36 36 GLU H H 7.724 0.030 1 354 36 36 GLU HA H 4.516 0.030 1 355 36 36 GLU HB2 H 2.122 0.030 2 356 36 36 GLU HB3 H 1.877 0.030 2 357 36 36 GLU HG2 H 2.295 0.030 2 358 36 36 GLU HG3 H 2.160 0.030 2 359 36 36 GLU C C 174.187 0.300 1 360 36 36 GLU CA C 56.344 0.300 1 361 36 36 GLU CB C 33.879 0.300 1 362 36 36 GLU CG C 36.277 0.300 1 363 36 36 GLU N N 116.775 0.300 1 364 37 37 ASP H H 8.387 0.030 1 365 37 37 ASP HA H 4.331 0.030 1 366 37 37 ASP HB2 H 1.900 0.030 2 367 37 37 ASP HB3 H 1.420 0.030 2 368 37 37 ASP C C 175.731 0.300 1 369 37 37 ASP CA C 52.848 0.300 1 370 37 37 ASP CB C 39.395 0.300 1 371 37 37 ASP N N 124.022 0.300 1 372 38 38 SER H H 7.767 0.030 1 373 38 38 SER HA H 4.262 0.030 1 374 38 38 SER HB2 H 3.953 0.030 2 375 38 38 SER HB3 H 3.799 0.030 2 376 38 38 SER C C 174.545 0.300 1 377 38 38 SER CA C 60.048 0.300 1 378 38 38 SER CB C 63.509 0.300 1 379 38 38 SER N N 114.402 0.300 1 380 39 39 ASN H H 8.734 0.030 1 381 39 39 ASN HA H 4.987 0.030 1 382 39 39 ASN HB2 H 3.392 0.030 2 383 39 39 ASN HB3 H 2.936 0.030 2 384 39 39 ASN HD21 H 7.130 0.030 2 385 39 39 ASN HD22 H 7.786 0.030 2 386 39 39 ASN C C 174.546 0.300 1 387 39 39 ASN CA C 52.839 0.300 1 388 39 39 ASN CB C 40.393 0.300 1 389 39 39 ASN N N 121.921 0.300 1 390 39 39 ASN ND2 N 114.224 0.300 1 391 40 40 GLU H H 8.675 0.030 1 392 40 40 GLU HA H 4.289 0.030 1 393 40 40 GLU HB2 H 2.113 0.030 2 394 40 40 GLU HB3 H 2.019 0.030 2 395 40 40 GLU HG2 H 2.368 0.030 2 396 40 40 GLU HG3 H 2.336 0.030 2 397 40 40 GLU C C 176.053 0.300 1 398 40 40 GLU CA C 58.075 0.300 1 399 40 40 GLU CB C 30.310 0.300 1 400 40 40 GLU CG C 36.372 0.300 1 401 40 40 GLU N N 119.313 0.300 1 402 41 41 ASP H H 8.246 0.030 1 403 41 41 ASP HA H 4.413 0.030 1 404 41 41 ASP HB2 H 2.530 0.030 2 405 41 41 ASP HB3 H 2.344 0.030 2 406 41 41 ASP C C 176.314 0.300 1 407 41 41 ASP CA C 55.243 0.300 1 408 41 41 ASP CB C 42.673 0.300 1 409 41 41 ASP N N 114.663 0.300 1 410 42 42 TRP H H 7.840 0.030 1 411 42 42 TRP HA H 4.804 0.030 1 412 42 42 TRP HB2 H 2.900 0.030 2 413 42 42 TRP HB3 H 2.784 0.030 2 414 42 42 TRP HD1 H 7.003 0.030 1 415 42 42 TRP HE1 H 9.903 0.030 1 416 42 42 TRP HE3 H 7.089 0.030 1 417 42 42 TRP HH2 H 7.203 0.030 1 418 42 42 TRP HZ2 H 7.424 0.030 1 419 42 42 TRP HZ3 H 6.647 0.030 1 420 42 42 TRP C C 174.142 0.300 1 421 42 42 TRP CA C 56.288 0.300 1 422 42 42 TRP CB C 31.300 0.300 1 423 42 42 TRP CD1 C 126.980 0.300 1 424 42 42 TRP CE3 C 119.484 0.300 1 425 42 42 TRP CH2 C 124.295 0.300 1 426 42 42 TRP CZ2 C 114.693 0.300 1 427 42 42 TRP CZ3 C 120.667 0.300 1 428 42 42 TRP N N 123.040 0.300 1 429 42 42 TRP NE1 N 128.655 0.300 1 430 43 43 TRP H H 8.253 0.030 1 431 43 43 TRP HA H 5.147 0.030 1 432 43 43 TRP HB2 H 2.720 0.030 2 433 43 43 TRP HB3 H 1.852 0.030 2 434 43 43 TRP HD1 H 7.152 0.030 1 435 43 43 TRP HE1 H 9.233 0.030 1 436 43 43 TRP HE3 H 7.033 0.030 1 437 43 43 TRP HH2 H 7.072 0.030 1 438 43 43 TRP HZ2 H 7.353 0.030 1 439 43 43 TRP HZ3 H 6.164 0.030 1 440 43 43 TRP C C 173.062 0.300 1 441 43 43 TRP CA C 52.820 0.300 1 442 43 43 TRP CB C 33.765 0.300 1 443 43 43 TRP CD1 C 123.909 0.300 1 444 43 43 TRP CE3 C 120.647 0.300 1 445 43 43 TRP CH2 C 123.471 0.300 1 446 43 43 TRP CZ2 C 114.081 0.300 1 447 43 43 TRP CZ3 C 120.679 0.300 1 448 43 43 TRP N N 126.150 0.300 1 449 43 43 TRP NE1 N 127.349 0.300 1 450 44 44 LYS H H 8.696 0.030 1 451 44 44 LYS HA H 4.797 0.030 1 452 44 44 LYS HB2 H 1.492 0.030 2 453 44 44 LYS HB3 H 1.247 0.030 2 454 44 44 LYS HD2 H 1.306 0.030 1 455 44 44 LYS HD3 H 1.306 0.030 1 456 44 44 LYS HE2 H 2.431 0.030 2 457 44 44 LYS HE3 H 2.504 0.030 2 458 44 44 LYS HG2 H 0.919 0.030 2 459 44 44 LYS HG3 H 0.278 0.030 2 460 44 44 LYS C C 176.799 0.300 1 461 44 44 LYS CA C 54.403 0.300 1 462 44 44 LYS CB C 36.248 0.300 1 463 44 44 LYS CD C 29.358 0.300 1 464 44 44 LYS CE C 41.879 0.300 1 465 44 44 LYS CG C 25.588 0.300 1 466 44 44 LYS N N 119.453 0.300 1 467 45 45 GLY H H 9.432 0.030 1 468 45 45 GLY HA2 H 4.984 0.030 2 469 45 45 GLY HA3 H 3.789 0.030 2 470 45 45 GLY C C 168.955 0.300 1 471 45 45 GLY CA C 45.640 0.300 1 472 45 45 GLY N N 114.662 0.300 1 473 46 46 LYS H H 8.566 0.030 1 474 46 46 LYS HA H 5.770 0.030 1 475 46 46 LYS HB2 H 1.722 0.030 2 476 46 46 LYS HB3 H 1.546 0.030 2 477 46 46 LYS HD2 H 1.651 0.030 1 478 46 46 LYS HD3 H 1.651 0.030 1 479 46 46 LYS HE2 H 3.012 0.030 2 480 46 46 LYS HE3 H 2.945 0.030 2 481 46 46 LYS HG2 H 1.299 0.030 1 482 46 46 LYS HG3 H 1.299 0.030 1 483 46 46 LYS C C 175.695 0.300 1 484 46 46 LYS CA C 54.035 0.300 1 485 46 46 LYS CB C 37.919 0.300 1 486 46 46 LYS CD C 30.135 0.300 1 487 46 46 LYS CE C 42.018 0.300 1 488 46 46 LYS CG C 24.351 0.300 1 489 46 46 LYS N N 118.959 0.300 1 490 47 47 ILE H H 8.804 0.030 1 491 47 47 ILE HA H 4.336 0.030 1 492 47 47 ILE HB H 1.588 0.030 1 493 47 47 ILE HD1 H 0.869 0.030 1 494 47 47 ILE HG12 H 1.452 0.030 2 495 47 47 ILE HG13 H 0.992 0.030 2 496 47 47 ILE HG2 H 0.951 0.030 1 497 47 47 ILE C C 175.553 0.300 1 498 47 47 ILE CA C 61.272 0.300 1 499 47 47 ILE CB C 41.281 0.300 1 500 47 47 ILE CD1 C 14.451 0.300 1 501 47 47 ILE CG1 C 28.233 0.300 1 502 47 47 ILE CG2 C 17.522 0.300 1 503 47 47 ILE N N 126.207 0.300 1 504 48 48 GLN H H 9.120 0.030 1 505 48 48 GLN HA H 3.755 0.030 1 506 48 48 GLN HB2 H 2.466 0.030 2 507 48 48 GLN HB3 H 2.198 0.030 2 508 48 48 GLN HE21 H 7.570 0.030 2 509 48 48 GLN HE22 H 6.911 0.030 2 510 48 48 GLN HG2 H 2.479 0.030 1 511 48 48 GLN HG3 H 2.479 0.030 1 512 48 48 GLN C C 174.644 0.300 1 513 48 48 GLN CA C 58.557 0.300 1 514 48 48 GLN CB C 26.044 0.300 1 515 48 48 GLN CG C 34.385 0.300 1 516 48 48 GLN N N 123.525 0.300 1 517 48 48 GLN NE2 N 112.413 0.300 1 518 49 49 ASP H H 8.569 0.030 1 519 49 49 ASP HA H 4.779 0.030 1 520 49 49 ASP HB2 H 2.784 0.030 1 521 49 49 ASP HB3 H 2.784 0.030 1 522 49 49 ASP C C 175.767 0.300 1 523 49 49 ASP CA C 54.125 0.300 1 524 49 49 ASP CB C 40.923 0.300 1 525 49 49 ASP N N 120.492 0.300 1 526 50 50 ARG H H 8.628 0.030 1 527 50 50 ARG HA H 4.548 0.030 1 528 50 50 ARG HB2 H 2.075 0.030 2 529 50 50 ARG HB3 H 1.746 0.030 2 530 50 50 ARG HD2 H 3.383 0.030 1 531 50 50 ARG HD3 H 3.383 0.030 1 532 50 50 ARG HE H 7.252 0.030 1 533 50 50 ARG HG2 H 1.787 0.030 2 534 50 50 ARG HG3 H 1.657 0.030 2 535 50 50 ARG C C 174.206 0.300 1 536 50 50 ARG CA C 56.272 0.300 1 537 50 50 ARG CB C 31.884 0.300 1 538 50 50 ARG CD C 43.459 0.300 1 539 50 50 ARG CG C 28.201 0.300 1 540 50 50 ARG N N 122.796 0.300 1 541 50 50 ARG NE N 84.339 0.300 1 542 51 51 ILE H H 8.249 0.030 1 543 51 51 ILE HA H 5.226 0.030 1 544 51 51 ILE HB H 1.581 0.030 1 545 51 51 ILE HD1 H 0.834 0.030 1 546 51 51 ILE HG12 H 1.522 0.030 2 547 51 51 ILE HG13 H 0.866 0.030 2 548 51 51 ILE HG2 H 0.753 0.030 1 549 51 51 ILE C C 176.958 0.300 1 550 51 51 ILE CA C 59.329 0.300 1 551 51 51 ILE CB C 42.017 0.300 1 552 51 51 ILE CD1 C 13.932 0.300 1 553 51 51 ILE CG1 C 28.062 0.300 1 554 51 51 ILE CG2 C 17.606 0.300 1 555 51 51 ILE N N 120.103 0.300 1 556 52 52 GLY H H 8.794 0.030 1 557 52 52 GLY HA2 H 4.220 0.030 2 558 52 52 GLY HA3 H 4.076 0.030 2 559 52 52 GLY C C 171.132 0.300 1 560 52 52 GLY CA C 46.035 0.300 1 561 52 52 GLY N N 112.608 0.300 1 562 53 53 PHE H H 9.135 0.030 1 563 53 53 PHE HA H 5.914 0.030 1 564 53 53 PHE HB2 H 3.114 0.030 2 565 53 53 PHE HB3 H 2.886 0.030 2 566 53 53 PHE HD1 H 7.162 0.030 1 567 53 53 PHE HD2 H 7.162 0.030 1 568 53 53 PHE HE1 H 7.390 0.030 1 569 53 53 PHE HE2 H 7.390 0.030 1 570 53 53 PHE HZ H 7.340 0.030 1 571 53 53 PHE C C 175.920 0.300 1 572 53 53 PHE CA C 57.515 0.300 1 573 53 53 PHE CB C 42.357 0.300 1 574 53 53 PHE CD1 C 131.942 0.300 1 575 53 53 PHE CD2 C 131.942 0.300 1 576 53 53 PHE CE1 C 131.158 0.300 1 577 53 53 PHE CE2 C 131.158 0.300 1 578 53 53 PHE CZ C 129.536 0.300 1 579 53 53 PHE N N 119.572 0.300 1 580 54 54 PHE H H 8.907 0.030 1 581 54 54 PHE HA H 4.828 0.030 1 582 54 54 PHE HB2 H 3.104 0.030 2 583 54 54 PHE HB3 H 2.610 0.030 2 584 54 54 PHE HD1 H 6.903 0.030 1 585 54 54 PHE HD2 H 6.903 0.030 1 586 54 54 PHE HE1 H 6.818 0.030 1 587 54 54 PHE HE2 H 6.818 0.030 1 588 54 54 PHE HZ H 6.939 0.030 1 589 54 54 PHE C C 170.605 0.300 1 590 54 54 PHE CA C 55.033 0.300 1 591 54 54 PHE CB C 39.143 0.300 1 592 54 54 PHE CD1 C 133.630 0.300 1 593 54 54 PHE CD2 C 133.630 0.300 1 594 54 54 PHE CE1 C 129.484 0.300 1 595 54 54 PHE CE2 C 129.484 0.300 1 596 54 54 PHE CZ C 127.856 0.300 1 597 54 54 PHE N N 115.952 0.300 1 598 55 55 PRO HA H 3.565 0.030 1 599 55 55 PRO HB2 H 0.988 0.030 2 600 55 55 PRO HB3 H 1.209 0.030 2 601 55 55 PRO HD2 H 1.949 0.030 2 602 55 55 PRO HD3 H 2.250 0.030 2 603 55 55 PRO HG2 H 0.498 0.030 2 604 55 55 PRO HG3 H 0.291 0.030 2 605 55 55 PRO C C 177.727 0.300 1 606 55 55 PRO CA C 61.298 0.300 1 607 55 55 PRO CB C 30.653 0.300 1 608 55 55 PRO CD C 49.768 0.300 1 609 55 55 PRO CG C 27.276 0.300 1 610 56 56 ALA H H 7.273 0.030 1 611 56 56 ALA HA H 2.625 0.030 1 612 56 56 ALA HB H -0.435 0.030 1 613 56 56 ALA C C 177.831 0.300 1 614 56 56 ALA CA C 54.770 0.300 1 615 56 56 ALA CB C 16.150 0.300 1 616 56 56 ALA N N 128.865 0.300 1 617 57 57 ASN H H 7.853 0.030 1 618 57 57 ASN HA H 4.566 0.030 1 619 57 57 ASN HB2 H 2.987 0.030 2 620 57 57 ASN HB3 H 2.701 0.030 2 621 57 57 ASN HD21 H 6.597 0.030 2 622 57 57 ASN HD22 H 7.458 0.030 2 623 57 57 ASN C C 175.922 0.300 1 624 57 57 ASN CA C 53.140 0.300 1 625 57 57 ASN CB C 36.685 0.300 1 626 57 57 ASN N N 108.950 0.300 1 627 57 57 ASN ND2 N 110.370 0.300 1 628 58 58 PHE H H 8.056 0.030 1 629 58 58 PHE HA H 4.941 0.030 1 630 58 58 PHE HB2 H 3.472 0.030 2 631 58 58 PHE HB3 H 3.536 0.030 2 632 58 58 PHE HD1 H 7.081 0.030 1 633 58 58 PHE HD2 H 7.081 0.030 1 634 58 58 PHE HE1 H 7.450 0.030 1 635 58 58 PHE HE2 H 7.450 0.030 1 636 58 58 PHE HZ H 7.322 0.030 1 637 58 58 PHE C C 174.918 0.300 1 638 58 58 PHE CA C 56.864 0.300 1 639 58 58 PHE CB C 38.765 0.300 1 640 58 58 PHE CD1 C 129.559 0.300 1 641 58 58 PHE CD2 C 129.559 0.300 1 642 58 58 PHE CE1 C 131.687 0.300 1 643 58 58 PHE CE2 C 131.687 0.300 1 644 58 58 PHE CZ C 129.521 0.300 1 645 58 58 PHE N N 119.565 0.300 1 646 59 59 VAL H H 7.265 0.030 1 647 59 59 VAL HA H 5.507 0.030 1 648 59 59 VAL HB H 2.184 0.030 1 649 59 59 VAL HG1 H 0.617 0.030 1 650 59 59 VAL HG2 H 1.004 0.030 1 651 59 59 VAL C C 174.297 0.300 1 652 59 59 VAL CA C 58.681 0.300 1 653 59 59 VAL CB C 36.251 0.300 1 654 59 59 VAL CG1 C 22.587 0.300 2 655 59 59 VAL CG2 C 19.664 0.300 2 656 59 59 VAL N N 108.434 0.300 1 657 60 60 GLN H H 8.793 0.030 1 658 60 60 GLN HA H 4.969 0.030 1 659 60 60 GLN HB2 H 2.041 0.030 2 660 60 60 GLN HB3 H 1.959 0.030 2 661 60 60 GLN HE21 H 7.455 0.030 2 662 60 60 GLN HE22 H 6.850 0.030 2 663 60 60 GLN HG2 H 2.371 0.030 1 664 60 60 GLN HG3 H 2.371 0.030 1 665 60 60 GLN C C 174.579 0.300 1 666 60 60 GLN CA C 53.910 0.300 1 667 60 60 GLN CB C 33.362 0.300 1 668 60 60 GLN CG C 33.620 0.300 1 669 60 60 GLN N N 118.993 0.300 1 670 60 60 GLN NE2 N 111.613 0.300 1 671 61 61 ARG H H 9.147 0.030 1 672 61 61 ARG HA H 3.482 0.030 1 673 61 61 ARG HB2 H 1.739 0.030 2 674 61 61 ARG HB3 H 1.671 0.030 2 675 61 61 ARG HD2 H 3.053 0.030 1 676 61 61 ARG HD3 H 3.053 0.030 1 677 61 61 ARG HG2 H 1.475 0.030 2 678 61 61 ARG HG3 H 1.223 0.030 2 679 61 61 ARG C C 175.888 0.300 1 680 61 61 ARG CA C 57.613 0.300 1 681 61 61 ARG CB C 30.539 0.300 1 682 61 61 ARG CD C 43.264 0.300 1 683 61 61 ARG CG C 27.294 0.300 1 684 61 61 ARG N N 127.850 0.300 1 685 62 62 LEU H H 8.303 0.030 1 686 62 62 LEU HA H 4.406 0.030 1 687 62 62 LEU HB2 H 1.507 0.030 2 688 62 62 LEU HB3 H 1.318 0.030 2 689 62 62 LEU HD1 H 0.830 0.030 1 690 62 62 LEU HD2 H 0.840 0.030 1 691 62 62 LEU HG H 1.462 0.030 1 692 62 62 LEU C C 176.538 0.300 1 693 62 62 LEU CA C 55.121 0.300 1 694 62 62 LEU CB C 42.678 0.300 1 695 62 62 LEU CD1 C 24.470 0.300 2 696 62 62 LEU CD2 C 24.708 0.300 2 697 62 62 LEU CG C 27.047 0.300 1 698 62 62 LEU N N 127.773 0.300 1 699 63 63 SER H H 8.294 0.030 1 700 63 63 SER HA H 4.483 0.030 1 701 63 63 SER HB2 H 3.835 0.030 1 702 63 63 SER HB3 H 3.835 0.030 1 703 63 63 SER C C 174.218 0.300 1 704 63 63 SER CA C 58.101 0.300 1 705 63 63 SER CB C 64.109 0.300 1 706 63 63 SER N N 117.884 0.300 1 707 64 64 GLY H H 8.194 0.030 1 708 64 64 GLY HA2 H 4.176 0.030 2 709 64 64 GLY HA3 H 4.083 0.030 2 710 64 64 GLY C C 171.659 0.300 1 711 64 64 GLY CA C 44.586 0.300 1 712 64 64 GLY N N 110.465 0.300 1 713 65 65 PRO HA H 4.479 0.030 1 714 65 65 PRO HB2 H 2.297 0.030 2 715 65 65 PRO HB3 H 1.982 0.030 2 716 65 65 PRO HD2 H 3.618 0.030 1 717 65 65 PRO HD3 H 3.618 0.030 1 718 65 65 PRO HG2 H 2.017 0.030 1 719 65 65 PRO HG3 H 2.017 0.030 1 720 65 65 PRO C C 177.359 0.300 1 721 65 65 PRO CA C 63.201 0.300 1 722 65 65 PRO CB C 32.179 0.300 1 723 65 65 PRO CD C 49.729 0.300 1 724 65 65 PRO CG C 27.101 0.300 1 725 66 66 SER H H 8.520 0.030 1 726 66 66 SER HA H 4.508 0.030 1 727 66 66 SER HB2 H 3.903 0.030 1 728 66 66 SER HB3 H 3.903 0.030 1 729 66 66 SER C C 174.637 0.300 1 730 66 66 SER CA C 58.388 0.300 1 731 66 66 SER CB C 63.791 0.300 1 732 66 66 SER N N 116.306 0.300 1 733 67 67 SER H H 8.313 0.030 1 734 67 67 SER HA H 4.499 0.030 1 735 67 67 SER HB2 H 3.894 0.030 1 736 67 67 SER HB3 H 3.894 0.030 1 737 67 67 SER C C 173.927 0.300 1 738 67 67 SER CA C 58.303 0.300 1 739 67 67 SER CB C 64.045 0.300 1 740 67 67 SER N N 117.744 0.300 1 741 68 68 GLY H H 8.038 0.030 1 742 68 68 GLY HA2 H 3.811 0.030 2 743 68 68 GLY HA3 H 3.764 0.030 2 744 68 68 GLY C C 179.013 0.300 1 745 68 68 GLY CA C 46.201 0.300 1 746 68 68 GLY N N 116.861 0.300 1 stop_ save_